SCHEMBL4806239

SCHEMBL4806239

CCOC1=C[CH]CC=C1OC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
NQO1 P15559 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL634177 0.83
SCHEMBL7373252 0.78 TDP1 (0.35)
SCHEMBL19127561 0.76 TSHR (0.33) TSHRNQO1
SCHEMBL4771993 0.73 MPO (0.32)
SCHEMBL4807473 0.72
SCHEMBL8788415 0.71 PLAU (0.31)
SCHEMBL4019693 0.70
SCHEMBL5318359 0.70
SCHEMBL2309452 0.68
SCHEMBL16915161 0.68

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
EP-1603864-A4 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORP (US) 2007-04-11 EP disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US disclosed
EP-1603864-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2005-12-14 EP disclosed
WO-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR TSHR 164/4885NQO1 4518/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 TSHR 301/4885NQO1 4033/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.